에틸 크리산테메이트
Ethyl chrysanthemate
기본 정보
- CAS
97-41-6- 표준 SMILES
CCOC(=O)C1C(C=C(C)C)C1(C)C- InChIKey
VIMXTGUGWLAOFZ-UHFFFAOYSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
개요
Ethyl chrysanthemumate is a monoterpenoid.
이름 및 식별자
- 우선 이름
- Ethyl chrysanthemate
- IUPAC
- ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- 현지명
- 에틸 크리산테메이트
- 영어명
- Ethyl chrysanthemumate
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
Ethyl chrysanthemate97-41-6Chrysanthemic acid ethyl esterCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTERDTXSID2052651NSC-10819Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl esterRefChem:596155BTF46JW4YADTXCID201079157202-579-7Ethyl chrysanthemumate
이름 더 보기
에틸크리산테메이트에틸크리산테메이트에틸국화PNP-α-D-GalEthyl chrysantCyclopropanecaTIMTEC-BB SBB007714Ethyl chrisanthemateEthyl chrysanthemat.Ethyl chrysanthemumaEthyl ChrsantheMuMate
chrysanthemic acid, ethyl esterEthyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylateEthylchrysanthemateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateMFCD00001304ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateEthyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
97-41-6- PubChem CID
- 7334
- DTXSID
DTXSID2052651- ChEMBL
CHEMBL1596099- ChEBI
CHEBI:228794- EC Number
- 202-579-7
- Nikkaji
- J23.507E
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 259
실험 및 물리화학적 성질
FragrancesFragrance
물리화학적 성질
- 끓는 점
- 112 °C10 · 112 °C10 mm Hg(lit.)
- 밀도
- 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.461(lit.)
- 인화점
- 184 °F · 184 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 노란색
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 허브 와인 과일향이 나는 영원한 꽃 국화 달콤한
- 냄새 유형
- 약초
- BRN
- 2045740 · 2045740
- LogP
- 4.181 · 4.181 (est)
- NIST
- Ethyl chrysanthemate(97-41-6)
- EPA
- 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester (97-41-6)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.
H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Status: Active Update: 25-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22078
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (92.9%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GZ1727000
- ridadr
- UN1993
- HS 번호
- 29162090
- safety_code
- 24/25
- 위험 등급
- 3
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester: INACTIVE
응용 분야
용도Ethyl Chrysanthemate is an organic building block used in the synthesis of various chemical compounds, such as insecticide, Resmethrin (R144685). It is used in the preparation of trans-norchrysanthemates and trans-norpyrethrates, having insecticidal activity.
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